USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 172 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 DT C7 :methyl -30:sc= -0.0312 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.436 (180deg=-3.7!) USER MOD Single : A 1 DG O5' : rot 28:sc= 1.31 USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.08! (180deg=-5.98!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.967 2.952 3.093 1.00 0.00 O ATOM 2 C5' DG A 1 7.736 3.697 4.030 1.00 0.00 C ATOM 3 C4' DG A 1 7.266 3.485 5.478 1.00 0.00 C ATOM 4 O4' DG A 1 5.867 3.745 5.524 1.00 0.00 O ATOM 5 C3' DG A 1 7.482 2.053 5.990 1.00 0.00 C ATOM 6 O3' DG A 1 7.810 2.104 7.374 1.00 0.00 O ATOM 7 C2' DG A 1 6.113 1.430 5.773 1.00 0.00 C ATOM 8 C1' DG A 1 5.217 2.618 6.082 1.00 0.00 C ATOM 9 N9 DG A 1 3.847 2.429 5.565 1.00 0.00 N ATOM 10 C8 DG A 1 2.739 2.109 6.300 1.00 0.00 C ATOM 11 N7 DG A 1 1.630 2.075 5.615 1.00 0.00 N ATOM 12 C5 DG A 1 2.048 2.326 4.307 1.00 0.00 C ATOM 13 C6 DG A 1 1.298 2.371 3.089 1.00 0.00 C ATOM 14 O6 DG A 1 0.084 2.250 2.950 1.00 0.00 O ATOM 15 N1 DG A 1 2.082 2.569 1.965 1.00 0.00 N ATOM 16 C2 DG A 1 3.443 2.718 2.017 1.00 0.00 C ATOM 17 N2 DG A 1 4.110 2.829 0.894 1.00 0.00 N ATOM 18 N3 DG A 1 4.171 2.734 3.139 1.00 0.00 N ATOM 19 C4 DG A 1 3.413 2.516 4.258 1.00 0.00 C ATOM 0 H5' DG A 1 7.676 4.757 3.783 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.784 3.409 3.946 1.00 0.00 H new ATOM 0 H4' DG A 1 7.852 4.154 6.108 1.00 0.00 H new ATOM 0 H3' DG A 1 8.284 1.501 5.499 1.00 0.00 H new ATOM 0 H2' DG A 1 5.980 1.064 4.755 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.930 0.588 6.440 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.065 2.811 3.449 1.00 0.00 H new ATOM 0 H1' DG A 1 5.080 2.747 7.156 1.00 0.00 H new ATOM 0 H8 DG A 1 2.779 1.902 7.359 1.00 0.00 H new ATOM 0 H1 DG A 1 1.624 2.606 1.054 1.00 0.00 H new ATOM 0 H21 DG A 1 5.124 2.941 0.912 1.00 0.00 H new ATOM 0 H22 DG A 1 3.615 2.804 0.002 1.00 0.00 H new ATOM 32 P DG A 2 8.391 0.828 8.172 1.00 0.00 P ATOM 33 OP1 DG A 2 8.917 1.266 9.476 1.00 0.00 O ATOM 34 OP2 DG A 2 9.260 0.051 7.258 1.00 0.00 O ATOM 35 O5' DG A 2 7.110 -0.112 8.448 1.00 0.00 O ATOM 36 C5' DG A 2 6.153 0.234 9.440 1.00 0.00 C ATOM 37 C4' DG A 2 4.864 -0.600 9.350 1.00 0.00 C ATOM 38 O4' DG A 2 4.126 -0.282 8.176 1.00 0.00 O ATOM 39 C3' DG A 2 5.123 -2.113 9.347 1.00 0.00 C ATOM 40 O3' DG A 2 4.397 -2.749 10.385 1.00 0.00 O ATOM 41 C2' DG A 2 4.578 -2.575 8.001 1.00 0.00 C ATOM 42 C1' DG A 2 3.572 -1.477 7.655 1.00 0.00 C ATOM 43 N9 DG A 2 3.276 -1.331 6.215 1.00 0.00 N ATOM 44 C8 DG A 2 4.167 -1.339 5.186 1.00 0.00 C ATOM 45 N7 DG A 2 3.645 -1.205 3.999 1.00 0.00 N ATOM 46 C5 DG A 2 2.278 -1.112 4.266 1.00 0.00 C ATOM 47 C6 DG A 2 1.163 -0.976 3.374 1.00 0.00 C ATOM 48 O6 DG A 2 1.167 -0.923 2.144 1.00 0.00 O ATOM 49 N1 DG A 2 -0.048 -0.907 4.033 1.00 0.00 N ATOM 50 C2 DG A 2 -0.189 -0.977 5.388 1.00 0.00 C ATOM 51 N2 DG A 2 -1.414 -0.903 5.861 1.00 0.00 N ATOM 52 N3 DG A 2 0.822 -1.132 6.248 1.00 0.00 N ATOM 53 C4 DG A 2 2.040 -1.182 5.624 1.00 0.00 C ATOM 0 H5' DG A 2 5.903 1.290 9.343 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.597 0.101 10.427 1.00 0.00 H new ATOM 0 H4' DG A 2 4.296 -0.344 10.244 1.00 0.00 H new ATOM 0 H3' DG A 2 6.176 -2.350 9.498 1.00 0.00 H new ATOM 0 H2' DG A 2 5.365 -2.655 7.251 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.103 -3.553 8.070 1.00 0.00 H new ATOM 0 H1' DG A 2 2.605 -1.732 8.089 1.00 0.00 H new ATOM 0 H8 DG A 2 5.230 -1.449 5.342 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.892 -0.797 3.471 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.576 -0.950 6.867 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.202 -0.798 5.222 1.00 0.00 H new HETATM 65 P TAF A 3 5.027 -4.003 11.167 1.00 0.00 P HETATM 66 OP1 TAF A 3 3.971 -4.488 12.086 1.00 0.00 O HETATM 67 OP2 TAF A 3 6.328 -3.572 11.710 1.00 0.00 O HETATM 68 O5' TAF A 3 5.264 -5.098 10.010 1.00 0.00 O HETATM 69 N1 TAF A 3 3.796 -8.461 7.097 1.00 0.00 N HETATM 70 C6 TAF A 3 2.717 -7.691 7.492 1.00 0.00 C HETATM 71 C2 TAF A 3 3.607 -9.650 6.383 1.00 0.00 C HETATM 72 O2 TAF A 3 4.528 -10.340 5.957 1.00 0.00 O HETATM 73 N3 TAF A 3 2.304 -10.028 6.140 1.00 0.00 N HETATM 74 C4 TAF A 3 1.179 -9.314 6.489 1.00 0.00 C HETATM 75 O4 TAF A 3 0.081 -9.758 6.171 1.00 0.00 O HETATM 76 C5 TAF A 3 1.441 -8.068 7.205 1.00 0.00 C HETATM 77 C5M TAF A 3 0.278 -7.173 7.598 1.00 0.00 C HETATM 78 F2' TAF A 3 4.543 -5.956 6.158 1.00 0.00 F HETATM 79 C2' TAF A 3 5.598 -6.784 6.491 1.00 0.00 C HETATM 80 C5' TAF A 3 6.453 -5.885 9.967 1.00 0.00 C HETATM 81 C4' TAF A 3 6.528 -6.790 8.726 1.00 0.00 C HETATM 82 O4' TAF A 3 5.405 -7.658 8.681 1.00 0.00 O HETATM 83 C1' TAF A 3 5.196 -8.005 7.326 1.00 0.00 C HETATM 84 C3' TAF A 3 6.533 -6.001 7.408 1.00 0.00 C HETATM 85 O3' TAF A 3 7.827 -5.847 6.814 1.00 0.00 O HETATM 0 H5'' TAF A 3 7.320 -5.225 9.982 1.00 0.00 H new HETATM 0 H73 TAF A 3 0.275 -7.035 8.679 1.00 0.00 H new HETATM 0 H72 TAF A 3 0.383 -6.205 7.109 1.00 0.00 H new HETATM 0 H71 TAF A 3 -0.659 -7.637 7.289 1.00 0.00 H new HETATM 0 H6 TAF A 3 2.892 -6.767 8.042 1.00 0.00 H new HETATM 0 H5' TAF A 3 6.507 -6.502 10.864 1.00 0.00 H new HETATM 0 H4' TAF A 3 7.465 -7.340 8.819 1.00 0.00 H new HETATM 0 H3' TAF A 3 6.212 -4.974 7.584 1.00 0.00 H new HETATM 0 H3 TAF A 3 2.160 -10.916 5.659 1.00 0.00 H new HETATM 0 H2' TAF A 3 6.029 -7.114 5.546 1.00 0.00 H new HETATM 0 H1' TAF A 3 5.808 -8.856 7.026 1.00 0.00 H new ATOM 97 P DT A 4 8.147 -4.608 5.821 1.00 0.00 P ATOM 98 OP1 DT A 4 9.572 -4.653 5.444 1.00 0.00 O ATOM 99 OP2 DT A 4 7.651 -3.394 6.504 1.00 0.00 O ATOM 100 O5' DT A 4 7.245 -4.817 4.502 1.00 0.00 O ATOM 101 C5' DT A 4 7.597 -5.728 3.470 1.00 0.00 C ATOM 102 C4' DT A 4 6.781 -5.448 2.200 1.00 0.00 C ATOM 103 O4' DT A 4 5.395 -5.706 2.352 1.00 0.00 O ATOM 104 C3' DT A 4 6.941 -3.995 1.713 1.00 0.00 C ATOM 105 O3' DT A 4 7.149 -3.890 0.316 1.00 0.00 O ATOM 106 C2' DT A 4 5.566 -3.443 2.025 1.00 0.00 C ATOM 107 C1' DT A 4 4.711 -4.656 1.691 1.00 0.00 C ATOM 108 N1 DT A 4 3.328 -4.520 2.195 1.00 0.00 N ATOM 109 C2 DT A 4 2.261 -4.381 1.307 1.00 0.00 C ATOM 110 O2 DT A 4 2.388 -4.326 0.089 1.00 0.00 O ATOM 111 N3 DT A 4 1.001 -4.332 1.873 1.00 0.00 N ATOM 112 C4 DT A 4 0.709 -4.386 3.218 1.00 0.00 C ATOM 113 O4 DT A 4 -0.478 -4.354 3.553 1.00 0.00 O ATOM 114 C5 DT A 4 1.885 -4.491 4.085 1.00 0.00 C ATOM 115 C7 DT A 4 1.723 -4.533 5.586 1.00 0.00 C ATOM 116 C6 DT A 4 3.134 -4.553 3.546 1.00 0.00 C ATOM 0 H5' DT A 4 7.420 -6.750 3.804 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.661 -5.644 3.251 1.00 0.00 H new ATOM 0 H4' DT A 4 7.189 -6.139 1.462 1.00 0.00 H new ATOM 0 H3' DT A 4 7.795 -3.497 2.171 1.00 0.00 H new ATOM 0 H2' DT A 4 5.466 -3.137 3.066 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.316 -2.576 1.413 1.00 0.00 H new ATOM 0 H1' DT A 4 4.597 -4.811 0.618 1.00 0.00 H new ATOM 0 H3 DT A 4 0.211 -4.248 1.233 1.00 0.00 H new ATOM 0 H71 DT A 4 0.834 -3.971 5.872 1.00 0.00 H new ATOM 0 H72 DT A 4 1.619 -5.568 5.912 1.00 0.00 H new ATOM 0 H73 DT A 4 2.599 -4.090 6.059 1.00 0.00 H new ATOM 0 H6 DT A 4 3.989 -4.630 4.201 1.00 0.00 H new ATOM 129 P DG A 5 8.537 -4.308 -0.364 1.00 0.00 P ATOM 130 OP1 DG A 5 8.549 -5.791 -0.476 1.00 0.00 O ATOM 131 OP2 DG A 5 9.606 -3.587 0.374 1.00 0.00 O ATOM 132 O5' DG A 5 8.398 -3.649 -1.825 1.00 0.00 O ATOM 133 C5' DG A 5 8.357 -2.240 -2.003 1.00 0.00 C ATOM 134 C4' DG A 5 7.904 -1.885 -3.424 1.00 0.00 C ATOM 135 O4' DG A 5 6.517 -2.204 -3.563 1.00 0.00 O ATOM 136 C3' DG A 5 8.043 -0.377 -3.698 1.00 0.00 C ATOM 137 O3' DG A 5 8.459 -0.162 -5.043 1.00 0.00 O ATOM 138 C2' DG A 5 6.615 0.097 -3.470 1.00 0.00 C ATOM 139 C1' DG A 5 5.860 -1.069 -4.091 1.00 0.00 C ATOM 140 N9 DG A 5 4.388 -1.048 -3.869 1.00 0.00 N ATOM 141 C8 DG A 5 3.423 -1.067 -4.847 1.00 0.00 C ATOM 142 N7 DG A 5 2.197 -1.026 -4.409 1.00 0.00 N ATOM 143 C5 DG A 5 2.350 -0.961 -3.023 1.00 0.00 C ATOM 144 C6 DG A 5 1.363 -0.883 -1.985 1.00 0.00 C ATOM 145 O6 DG A 5 0.139 -0.855 -2.093 1.00 0.00 O ATOM 146 N1 DG A 5 1.901 -0.811 -0.715 1.00 0.00 N ATOM 147 C2 DG A 5 3.240 -0.785 -0.471 1.00 0.00 C ATOM 148 N2 DG A 5 3.581 -0.669 0.789 1.00 0.00 N ATOM 149 N3 DG A 5 4.191 -0.850 -1.405 1.00 0.00 N ATOM 150 C4 DG A 5 3.688 -0.950 -2.676 1.00 0.00 C ATOM 0 H5' DG A 5 9.343 -1.816 -1.814 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.675 -1.797 -1.277 1.00 0.00 H new ATOM 0 H4' DG A 5 8.528 -2.446 -4.120 1.00 0.00 H new ATOM 0 H3' DG A 5 8.779 0.140 -3.082 1.00 0.00 H new ATOM 0 H2' DG A 5 6.382 0.232 -2.414 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.404 1.044 -3.966 1.00 0.00 H new ATOM 0 H1' DG A 5 5.893 -1.043 -5.180 1.00 0.00 H new ATOM 0 H8 DG A 5 3.663 -1.112 -5.899 1.00 0.00 H new ATOM 0 H1 DG A 5 1.263 -0.776 0.080 1.00 0.00 H new ATOM 0 H21 DG A 5 4.567 -0.642 1.050 1.00 0.00 H new ATOM 0 H22 DG A 5 2.861 -0.605 1.508 1.00 0.00 H new ATOM 162 P DG A 6 8.904 1.299 -5.593 1.00 0.00 P ATOM 163 OP1 DG A 6 9.618 1.114 -6.872 1.00 0.00 O ATOM 164 OP2 DG A 6 9.550 2.019 -4.473 1.00 0.00 O ATOM 165 O5' DG A 6 7.483 2.008 -5.905 1.00 0.00 O ATOM 166 C5' DG A 6 6.644 1.530 -6.944 1.00 0.00 C ATOM 167 C4' DG A 6 5.201 2.048 -6.839 1.00 0.00 C ATOM 168 O4' DG A 6 4.578 1.683 -5.617 1.00 0.00 O ATOM 169 C3' DG A 6 5.055 3.569 -6.971 1.00 0.00 C ATOM 170 O3' DG A 6 4.598 3.848 -8.288 1.00 0.00 O ATOM 171 C2' DG A 6 4.040 3.932 -5.878 1.00 0.00 C ATOM 172 C1' DG A 6 3.506 2.580 -5.414 1.00 0.00 C ATOM 173 N9 DG A 6 3.040 2.587 -4.008 1.00 0.00 N ATOM 174 C8 DG A 6 3.769 2.727 -2.850 1.00 0.00 C ATOM 175 N7 DG A 6 3.057 2.684 -1.760 1.00 0.00 N ATOM 176 C5 DG A 6 1.752 2.543 -2.228 1.00 0.00 C ATOM 177 C6 DG A 6 0.517 2.485 -1.510 1.00 0.00 C ATOM 178 O6 DG A 6 0.360 2.508 -0.292 1.00 0.00 O ATOM 179 N1 DG A 6 -0.590 2.418 -2.337 1.00 0.00 N ATOM 180 C2 DG A 6 -0.525 2.411 -3.702 1.00 0.00 C ATOM 181 N2 DG A 6 -1.650 2.420 -4.384 1.00 0.00 N ATOM 182 N3 DG A 6 0.615 2.438 -4.400 1.00 0.00 N ATOM 183 C4 DG A 6 1.725 2.508 -3.604 1.00 0.00 C ATOM 0 H5' DG A 6 6.635 0.440 -6.923 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.061 1.827 -7.906 1.00 0.00 H new ATOM 0 H4' DG A 6 4.714 1.570 -7.689 1.00 0.00 H new ATOM 0 H3' DG A 6 5.970 4.146 -6.839 1.00 0.00 H new ATOM 0 H2' DG A 6 4.511 4.478 -5.061 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.242 4.565 -6.267 1.00 0.00 H new ATOM 0 H1' DG A 6 2.617 2.294 -5.975 1.00 0.00 H new ATOM 0 H8 DG A 6 4.841 2.861 -2.845 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.511 2.371 -1.901 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.628 2.415 -5.404 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.544 2.432 -3.893 1.00 0.00 H new ATOM 195 P DT A 7 4.267 5.336 -8.809 1.00 0.00 P ATOM 196 OP1 DT A 7 4.511 5.416 -10.261 1.00 0.00 O ATOM 197 OP2 DT A 7 4.840 6.341 -7.883 1.00 0.00 O ATOM 198 O5' DT A 7 2.689 5.333 -8.556 1.00 0.00 O ATOM 199 C5' DT A 7 1.828 6.336 -9.059 1.00 0.00 C ATOM 200 C4' DT A 7 0.384 5.816 -9.087 1.00 0.00 C ATOM 201 O4' DT A 7 0.292 4.783 -10.058 1.00 0.00 O ATOM 202 C3' DT A 7 -0.073 5.220 -7.741 1.00 0.00 C ATOM 203 O3' DT A 7 -1.444 5.482 -7.512 1.00 0.00 O ATOM 204 C2' DT A 7 0.107 3.729 -7.957 1.00 0.00 C ATOM 205 C1' DT A 7 -0.244 3.628 -9.441 1.00 0.00 C ATOM 206 N1 DT A 7 0.299 2.407 -10.085 1.00 0.00 N ATOM 207 C2 DT A 7 -0.592 1.556 -10.748 1.00 0.00 C ATOM 208 O2 DT A 7 -1.797 1.766 -10.841 1.00 0.00 O ATOM 209 N3 DT A 7 -0.058 0.416 -11.308 1.00 0.00 N ATOM 210 C4 DT A 7 1.267 0.038 -11.260 1.00 0.00 C ATOM 211 O4 DT A 7 1.590 -1.019 -11.790 1.00 0.00 O ATOM 212 C5 DT A 7 2.147 0.974 -10.562 1.00 0.00 C ATOM 213 C7 DT A 7 3.633 0.682 -10.455 1.00 0.00 C ATOM 214 C6 DT A 7 1.644 2.113 -10.011 1.00 0.00 C ATOM 0 H5' DT A 7 2.139 6.626 -10.063 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.891 7.228 -8.436 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.254 6.669 -9.316 1.00 0.00 H new ATOM 0 H3' DT A 7 0.477 5.628 -6.893 1.00 0.00 H new ATOM 0 H2' DT A 7 1.124 3.398 -7.746 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.558 3.134 -7.331 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.326 3.562 -9.553 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.700 -0.204 -11.802 1.00 0.00 H new ATOM 0 H71 DT A 7 4.186 1.620 -10.415 1.00 0.00 H new ATOM 0 H72 DT A 7 3.827 0.108 -9.549 1.00 0.00 H new ATOM 0 H73 DT A 7 3.954 0.108 -11.324 1.00 0.00 H new ATOM 0 H6 DT A 7 2.310 2.798 -9.507 1.00 0.00 H new ATOM 227 P DG A 8 -1.940 6.926 -7.002 1.00 0.00 P ATOM 228 OP1 DG A 8 -3.293 7.157 -7.546 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.849 7.896 -7.258 1.00 0.00 O ATOM 230 O5' DG A 8 -2.027 6.685 -5.415 1.00 0.00 O ATOM 231 C5' DG A 8 -3.119 5.989 -4.828 1.00 0.00 C ATOM 232 C4' DG A 8 -3.040 6.016 -3.296 1.00 0.00 C ATOM 233 O4' DG A 8 -1.950 5.222 -2.854 1.00 0.00 O ATOM 234 C3' DG A 8 -2.876 7.437 -2.743 1.00 0.00 C ATOM 235 O3' DG A 8 -3.923 7.793 -1.863 1.00 0.00 O ATOM 236 C2' DG A 8 -1.572 7.413 -1.963 1.00 0.00 C ATOM 237 C1' DG A 8 -1.105 5.957 -1.987 1.00 0.00 C ATOM 238 N9 DG A 8 0.294 5.889 -2.463 1.00 0.00 N ATOM 239 C8 DG A 8 0.765 5.925 -3.752 1.00 0.00 C ATOM 240 N7 DG A 8 2.070 5.964 -3.851 1.00 0.00 N ATOM 241 C5 DG A 8 2.493 5.946 -2.516 1.00 0.00 C ATOM 242 C6 DG A 8 3.807 5.965 -1.933 1.00 0.00 C ATOM 243 O6 DG A 8 4.902 5.984 -2.486 1.00 0.00 O ATOM 244 N1 DG A 8 3.799 5.971 -0.546 1.00 0.00 N ATOM 245 C2 DG A 8 2.660 5.950 0.205 1.00 0.00 C ATOM 246 N2 DG A 8 2.779 5.973 1.514 1.00 0.00 N ATOM 247 N3 DG A 8 1.429 5.929 -0.298 1.00 0.00 N ATOM 248 C4 DG A 8 1.410 5.918 -1.664 1.00 0.00 C ATOM 0 H5' DG A 8 -3.123 4.956 -5.176 1.00 0.00 H new ATOM 0 H5'' DG A 8 -4.057 6.439 -5.154 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.983 5.616 -2.922 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.887 8.162 -3.557 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.831 8.070 -2.418 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.720 7.760 -0.940 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.153 5.534 -0.984 1.00 0.00 H new ATOM 0 H8 DG A 8 0.113 5.921 -4.613 1.00 0.00 H new ATOM 0 H1 DG A 8 4.695 5.992 -0.060 1.00 0.00 H new ATOM 0 H21 DG A 8 1.946 5.958 2.102 1.00 0.00 H new ATOM 0 H22 DG A 8 3.705 6.006 1.941 1.00 0.00 H new ATOM 260 P DT A 9 -5.208 8.598 -2.404 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.411 8.244 -3.825 1.00 0.00 O ATOM 262 OP2 DT A 9 -5.071 10.011 -1.994 1.00 0.00 O ATOM 263 O5' DT A 9 -6.380 7.925 -1.546 1.00 0.00 O ATOM 264 C5' DT A 9 -7.030 6.744 -1.976 1.00 0.00 C ATOM 265 C4' DT A 9 -7.986 6.251 -0.889 1.00 0.00 C ATOM 266 O4' DT A 9 -7.230 5.824 0.233 1.00 0.00 O ATOM 267 C3' DT A 9 -8.937 7.351 -0.391 1.00 0.00 C ATOM 268 O3' DT A 9 -10.228 6.823 -0.165 1.00 0.00 O ATOM 269 C2' DT A 9 -8.332 7.741 0.949 1.00 0.00 C ATOM 270 C1' DT A 9 -7.802 6.385 1.396 1.00 0.00 C ATOM 271 N1 DT A 9 -6.827 6.512 2.506 1.00 0.00 N ATOM 272 C2 DT A 9 -7.329 6.574 3.815 1.00 0.00 C ATOM 273 O2 DT A 9 -8.518 6.391 4.122 1.00 0.00 O ATOM 274 N3 DT A 9 -6.390 6.781 4.808 1.00 0.00 N ATOM 275 C4 DT A 9 -5.019 6.748 4.641 1.00 0.00 C ATOM 276 O4 DT A 9 -4.319 6.836 5.642 1.00 0.00 O ATOM 277 C5 DT A 9 -4.563 6.598 3.261 1.00 0.00 C ATOM 278 C7 DT A 9 -3.080 6.529 2.936 1.00 0.00 C ATOM 279 C6 DT A 9 -5.468 6.524 2.250 1.00 0.00 C ATOM 0 H5' DT A 9 -6.292 5.974 -2.200 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.581 6.936 -2.897 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.575 5.447 -1.330 1.00 0.00 H new ATOM 0 H3' DT A 9 -9.039 8.174 -1.099 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.543 8.486 0.850 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.071 8.149 1.639 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.588 5.748 1.801 1.00 0.00 H new ATOM 0 H3 DT A 9 -6.740 6.975 5.746 1.00 0.00 H new ATOM 0 H71 DT A 9 -2.931 5.919 2.045 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.700 7.535 2.755 1.00 0.00 H new ATOM 0 H73 DT A 9 -2.544 6.084 3.774 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.120 6.474 1.229 1.00 0.00 H new ATOM 292 P DG A 10 -11.376 6.975 -1.276 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.501 8.411 -1.599 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.556 6.211 -0.812 1.00 0.00 O ATOM 295 O5' DG A 10 -10.735 6.219 -2.552 1.00 0.00 O ATOM 296 C5' DG A 10 -10.858 4.819 -2.720 1.00 0.00 C ATOM 297 C4' DG A 10 -10.114 4.364 -3.979 1.00 0.00 C ATOM 298 O4' DG A 10 -8.698 4.426 -3.794 1.00 0.00 O ATOM 299 C3' DG A 10 -10.437 2.901 -4.317 1.00 0.00 C ATOM 300 O3' DG A 10 -10.621 2.797 -5.723 1.00 0.00 O ATOM 301 C2' DG A 10 -9.174 2.194 -3.844 1.00 0.00 C ATOM 302 C1' DG A 10 -8.155 3.224 -4.312 1.00 0.00 C ATOM 303 N9 DG A 10 -6.760 2.957 -3.843 1.00 0.00 N ATOM 304 C8 DG A 10 -5.610 2.735 -4.584 1.00 0.00 C ATOM 305 N7 DG A 10 -4.523 2.625 -3.874 1.00 0.00 N ATOM 306 C5 DG A 10 -4.976 2.737 -2.563 1.00 0.00 C ATOM 307 C6 DG A 10 -4.251 2.677 -1.332 1.00 0.00 C ATOM 308 O6 DG A 10 -3.048 2.525 -1.168 1.00 0.00 O ATOM 309 N1 DG A 10 -5.047 2.795 -0.213 1.00 0.00 N ATOM 310 C2 DG A 10 -6.402 2.898 -0.262 1.00 0.00 C ATOM 311 N2 DG A 10 -7.057 2.890 0.876 1.00 0.00 N ATOM 312 N3 DG A 10 -7.112 2.959 -1.390 1.00 0.00 N ATOM 313 C4 DG A 10 -6.343 2.890 -2.523 1.00 0.00 C ATOM 0 H5' DG A 10 -11.911 4.546 -2.794 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.456 4.305 -1.847 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.436 5.032 -4.778 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.339 2.490 -3.863 1.00 0.00 H new ATOM 0 H2' DG A 10 -9.154 2.038 -2.765 1.00 0.00 H new ATOM 0 H2'' DG A 10 -9.035 1.218 -4.310 1.00 0.00 H new ATOM 0 H1' DG A 10 -8.024 3.231 -5.394 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.614 2.659 -5.661 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.595 2.806 0.701 1.00 0.00 H new ATOM 0 H21 DG A 10 -8.074 2.965 0.880 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.549 2.808 1.756 1.00 0.00 H new ATOM 325 P DG A 11 -11.159 1.448 -6.422 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.749 1.823 -7.725 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.966 0.721 -5.421 1.00 0.00 O ATOM 328 O5' DG A 11 -9.792 0.636 -6.698 1.00 0.00 O ATOM 329 C5' DG A 11 -8.929 1.010 -7.760 1.00 0.00 C ATOM 330 C4' DG A 11 -7.629 0.195 -7.784 1.00 0.00 C ATOM 331 O4' DG A 11 -6.904 0.409 -6.575 1.00 0.00 O ATOM 332 C3' DG A 11 -7.861 -1.316 -7.940 1.00 0.00 C ATOM 333 O3' DG A 11 -7.006 -1.850 -8.937 1.00 0.00 O ATOM 334 C2' DG A 11 -7.422 -1.873 -6.595 1.00 0.00 C ATOM 335 C1' DG A 11 -6.380 -0.836 -6.162 1.00 0.00 C ATOM 336 N9 DG A 11 -6.024 -0.811 -4.719 1.00 0.00 N ATOM 337 C8 DG A 11 -6.842 -0.814 -3.608 1.00 0.00 C ATOM 338 N7 DG A 11 -6.199 -0.754 -2.476 1.00 0.00 N ATOM 339 C5 DG A 11 -4.860 -0.747 -2.847 1.00 0.00 C ATOM 340 C6 DG A 11 -3.679 -0.754 -2.035 1.00 0.00 C ATOM 341 O6 DG A 11 -3.597 -0.780 -0.810 1.00 0.00 O ATOM 342 N1 DG A 11 -2.516 -0.767 -2.774 1.00 0.00 N ATOM 343 C2 DG A 11 -2.478 -0.815 -4.132 1.00 0.00 C ATOM 344 N2 DG A 11 -1.277 -0.903 -4.659 1.00 0.00 N ATOM 345 N3 DG A 11 -3.559 -0.821 -4.923 1.00 0.00 N ATOM 346 C4 DG A 11 -4.734 -0.781 -4.217 1.00 0.00 C ATOM 0 H5' DG A 11 -8.687 2.069 -7.670 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.451 0.882 -8.708 1.00 0.00 H new ATOM 0 H4' DG A 11 -7.070 0.540 -8.654 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.888 -1.553 -8.219 1.00 0.00 H new ATOM 0 H2' DG A 11 -8.250 -1.942 -5.889 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.995 -2.872 -6.684 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.429 -1.096 -6.626 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.919 -0.862 -3.671 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.629 -0.739 -2.271 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.166 -0.944 -5.672 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.456 -0.931 -4.055 1.00 0.00 H new ATOM 358 P DT A 12 -7.428 -3.139 -9.813 1.00 0.00 P ATOM 359 OP1 DT A 12 -6.237 -3.573 -10.574 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.677 -2.801 -10.530 1.00 0.00 O ATOM 361 O5' DT A 12 -7.754 -4.280 -8.713 1.00 0.00 O ATOM 362 C5' DT A 12 -9.052 -4.851 -8.608 1.00 0.00 C ATOM 363 C4' DT A 12 -9.094 -6.010 -7.603 1.00 0.00 C ATOM 364 O4' DT A 12 -8.078 -6.955 -7.907 1.00 0.00 O ATOM 365 C3' DT A 12 -8.879 -5.545 -6.160 1.00 0.00 C ATOM 366 O3' DT A 12 -10.062 -5.709 -5.401 1.00 0.00 O ATOM 367 C2' DT A 12 -7.808 -6.468 -5.603 1.00 0.00 C ATOM 368 C1' DT A 12 -7.574 -7.504 -6.707 1.00 0.00 C ATOM 369 N1 DT A 12 -6.124 -7.814 -6.854 1.00 0.00 N ATOM 370 C2 DT A 12 -5.692 -9.101 -6.516 1.00 0.00 C ATOM 371 O2 DT A 12 -6.448 -10.025 -6.234 1.00 0.00 O ATOM 372 N3 DT A 12 -4.330 -9.306 -6.480 1.00 0.00 N ATOM 373 C4 DT A 12 -3.361 -8.350 -6.702 1.00 0.00 C ATOM 374 O4 DT A 12 -2.185 -8.677 -6.585 1.00 0.00 O ATOM 375 C5 DT A 12 -3.875 -7.030 -7.057 1.00 0.00 C ATOM 376 C7 DT A 12 -2.912 -5.876 -7.274 1.00 0.00 C ATOM 377 C6 DT A 12 -5.216 -6.814 -7.149 1.00 0.00 C ATOM 0 H5' DT A 12 -9.370 -5.209 -9.587 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.762 -4.082 -8.304 1.00 0.00 H new ATOM 0 H4' DT A 12 -10.087 -6.453 -7.686 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.600 -4.492 -6.120 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.894 -5.921 -5.374 1.00 0.00 H new ATOM 0 H2'' DT A 12 -8.136 -6.942 -4.678 1.00 0.00 H new ATOM 0 H1' DT A 12 -8.079 -8.438 -6.459 1.00 0.00 H new ATOM 0 H3 DT A 12 -4.009 -10.251 -6.270 1.00 0.00 H new ATOM 0 H71 DT A 12 -2.029 -6.017 -6.651 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.616 -5.842 -8.322 1.00 0.00 H new ATOM 0 H73 DT A 12 -3.400 -4.939 -7.004 1.00 0.00 H new ATOM 0 H6 DT A 12 -5.577 -5.844 -7.458 1.00 0.00 H new ATOM 390 P DT A 13 -10.629 -4.517 -4.476 1.00 0.00 P ATOM 391 OP1 DT A 13 -12.017 -4.870 -4.108 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.342 -3.247 -5.170 1.00 0.00 O ATOM 393 O5' DT A 13 -9.701 -4.571 -3.151 1.00 0.00 O ATOM 394 C5' DT A 13 -10.085 -5.329 -2.013 1.00 0.00 C ATOM 395 C4' DT A 13 -9.233 -4.996 -0.782 1.00 0.00 C ATOM 396 O4' DT A 13 -7.903 -5.475 -0.922 1.00 0.00 O ATOM 397 C3' DT A 13 -9.188 -3.490 -0.451 1.00 0.00 C ATOM 398 O3' DT A 13 -9.551 -3.194 0.884 1.00 0.00 O ATOM 399 C2' DT A 13 -7.712 -3.198 -0.539 1.00 0.00 C ATOM 400 C1' DT A 13 -7.034 -4.541 -0.311 1.00 0.00 C ATOM 401 N1 DT A 13 -5.720 -4.529 -0.985 1.00 0.00 N ATOM 402 C2 DT A 13 -4.530 -4.432 -0.256 1.00 0.00 C ATOM 403 O2 DT A 13 -4.456 -4.497 0.975 1.00 0.00 O ATOM 404 N3 DT A 13 -3.381 -4.259 -1.008 1.00 0.00 N ATOM 405 C4 DT A 13 -3.313 -4.201 -2.385 1.00 0.00 C ATOM 406 O4 DT A 13 -2.213 -4.047 -2.899 1.00 0.00 O ATOM 407 C5 DT A 13 -4.594 -4.318 -3.071 1.00 0.00 C ATOM 408 C7 DT A 13 -4.656 -4.244 -4.581 1.00 0.00 C ATOM 409 C6 DT A 13 -5.736 -4.461 -2.351 1.00 0.00 C ATOM 0 H5' DT A 13 -9.995 -6.392 -2.239 1.00 0.00 H new ATOM 0 H5'' DT A 13 -11.135 -5.139 -1.789 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.727 -5.505 0.046 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.862 -2.933 -1.102 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.449 -2.782 -1.512 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.408 -2.469 0.212 1.00 0.00 H new ATOM 0 H1' DT A 13 -6.862 -4.774 0.740 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.503 -4.166 -0.497 1.00 0.00 H new ATOM 0 H71 DT A 13 -3.849 -3.609 -4.948 1.00 0.00 H new ATOM 0 H72 DT A 13 -4.549 -5.245 -4.999 1.00 0.00 H new ATOM 0 H73 DT A 13 -5.615 -3.825 -4.886 1.00 0.00 H new ATOM 0 H6 DT A 13 -6.681 -4.523 -2.870 1.00 0.00 H new ATOM 422 P DG A 14 -11.080 -3.180 1.370 1.00 0.00 P ATOM 423 OP1 DG A 14 -11.540 -4.583 1.432 1.00 0.00 O ATOM 424 OP2 DG A 14 -11.812 -2.185 0.560 1.00 0.00 O ATOM 425 O5' DG A 14 -10.911 -2.603 2.869 1.00 0.00 O ATOM 426 C5' DG A 14 -10.652 -1.224 3.093 1.00 0.00 C ATOM 427 C4' DG A 14 -10.284 -0.956 4.560 1.00 0.00 C ATOM 428 O4' DG A 14 -8.950 -1.420 4.778 1.00 0.00 O ATOM 429 C3' DG A 14 -10.306 0.553 4.899 1.00 0.00 C ATOM 430 O3' DG A 14 -10.856 0.795 6.187 1.00 0.00 O ATOM 431 C2' DG A 14 -8.822 0.890 4.868 1.00 0.00 C ATOM 432 C1' DG A 14 -8.202 -0.385 5.384 1.00 0.00 C ATOM 433 N9 DG A 14 -6.748 -0.407 5.087 1.00 0.00 N ATOM 434 C8 DG A 14 -5.741 -0.307 6.002 1.00 0.00 C ATOM 435 N7 DG A 14 -4.538 -0.442 5.513 1.00 0.00 N ATOM 436 C5 DG A 14 -4.760 -0.527 4.141 1.00 0.00 C ATOM 437 C6 DG A 14 -3.836 -0.650 3.054 1.00 0.00 C ATOM 438 O6 DG A 14 -2.619 -0.805 3.100 1.00 0.00 O ATOM 439 N1 DG A 14 -4.442 -0.602 1.812 1.00 0.00 N ATOM 440 C2 DG A 14 -5.778 -0.418 1.635 1.00 0.00 C ATOM 441 N2 DG A 14 -6.201 -0.279 0.407 1.00 0.00 N ATOM 442 N3 DG A 14 -6.672 -0.366 2.619 1.00 0.00 N ATOM 443 C4 DG A 14 -6.106 -0.431 3.862 1.00 0.00 C ATOM 0 H5' DG A 14 -11.531 -0.638 2.824 1.00 0.00 H new ATOM 0 H5'' DG A 14 -9.839 -0.895 2.446 1.00 0.00 H new ATOM 0 H4' DG A 14 -11.014 -1.468 5.187 1.00 0.00 H new ATOM 0 H3' DG A 14 -10.919 1.147 4.221 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.479 1.133 3.862 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.584 1.745 5.501 1.00 0.00 H new ATOM 0 H1' DG A 14 -8.246 -0.494 6.468 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.925 -0.130 7.051 1.00 0.00 H new ATOM 0 H1 DG A 14 -3.856 -0.710 0.984 1.00 0.00 H new ATOM 0 H21 DG A 14 -7.194 -0.139 0.223 1.00 0.00 H new ATOM 0 H22 DG A 14 -5.538 -0.311 -0.367 1.00 0.00 H new ATOM 455 P DG A 15 -11.073 2.284 6.809 1.00 0.00 P ATOM 456 OP1 DG A 15 -12.046 2.193 7.915 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.251 3.293 5.718 1.00 0.00 O ATOM 458 O5' DG A 15 -9.651 2.634 7.449 1.00 0.00 O ATOM 459 C5' DG A 15 -9.091 1.957 8.560 1.00 0.00 C ATOM 460 C4' DG A 15 -7.695 2.548 8.812 1.00 0.00 C ATOM 461 O4' DG A 15 -6.854 2.274 7.694 1.00 0.00 O ATOM 462 C3' DG A 15 -7.766 4.077 8.972 1.00 0.00 C ATOM 463 O3' DG A 15 -6.884 4.516 9.991 1.00 0.00 O ATOM 464 C2' DG A 15 -7.297 4.591 7.616 1.00 0.00 C ATOM 465 C1' DG A 15 -6.297 3.495 7.238 1.00 0.00 C ATOM 466 N9 DG A 15 -5.896 3.395 5.822 1.00 0.00 N ATOM 467 C8 DG A 15 -6.644 3.600 4.701 1.00 0.00 C ATOM 468 N7 DG A 15 -6.029 3.365 3.576 1.00 0.00 N ATOM 469 C5 DG A 15 -4.738 3.029 3.991 1.00 0.00 C ATOM 470 C6 DG A 15 -3.568 2.698 3.236 1.00 0.00 C ATOM 471 O6 DG A 15 -3.464 2.589 2.022 1.00 0.00 O ATOM 472 N1 DG A 15 -2.445 2.489 4.016 1.00 0.00 N ATOM 473 C2 DG A 15 -2.445 2.584 5.378 1.00 0.00 C ATOM 474 N2 DG A 15 -1.308 2.422 6.015 1.00 0.00 N ATOM 475 N3 DG A 15 -3.520 2.870 6.115 1.00 0.00 N ATOM 476 C4 DG A 15 -4.639 3.081 5.362 1.00 0.00 C ATOM 0 H5' DG A 15 -9.023 0.887 8.362 1.00 0.00 H new ATOM 0 H5'' DG A 15 -9.722 2.079 9.440 1.00 0.00 H new ATOM 0 H4' DG A 15 -7.301 2.098 9.723 1.00 0.00 H new ATOM 0 H3' DG A 15 -8.759 4.429 9.251 1.00 0.00 H new ATOM 0 H2' DG A 15 -8.113 4.674 6.898 1.00 0.00 H new ATOM 0 H2'' DG A 15 -6.830 5.574 7.683 1.00 0.00 H new ATOM 0 HO3' DG A 15 -6.942 5.491 10.076 1.00 0.00 H new ATOM 0 H1' DG A 15 -5.352 3.755 7.715 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.671 3.933 4.742 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.570 2.251 3.549 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.280 2.488 7.032 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.453 2.230 5.492 1.00 0.00 H new TER 489 DG A 15